(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide

C14H21NO2S — CID 129053216

IUPAC(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
SMILESCC(/C=N/S(=O)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12(10-15-18(16)14(2,3)4)17-11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/b15-10+
InChIKeyUWNYVRBSNSNKIH-XNTDXEJSSA-N
MW267.39 g/mol
LogP3.12
Rot. Bonds5

About (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide

(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide (PubChem CID 129053216) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
PubChem CID129053216
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide
SMILESCC(/C=N/S(=O)C(C)(C)C)OCc1ccccc1
InChIInChI=1S/C14H21NO2S/c1-12(10-15-18(16)14(2,3)4)17-11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/b15-10+
InChIKeyUWNYVRBSNSNKIH-XNTDXEJSSA-N
XLogP3.12
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(S)-2-methyl-N-[(2S)-2-phenylmethoxypropylidene]propane-2-sulfinamide
CID 129053217
(NE,S)-N-[(2R)-2-[tert-butyl(diphenyl)silyl]oxypropylidene]-2-methylpropane-2-sulfinamide
CID 11452753
(NE,S)-2-methyl-N-(2-methylpropylidene)propane-2-sulfinamide
CID 11344299
benzyl (4E)-4-tert-butylsulfinyliminobutanoate
CID 156777650
(E)-4-phenylmethoxypent-2-enal
CID 59042461
(NE,R)-2-methyl-N-[[4-(2-phenylmethoxyethyl)cyclohexyl]methylidene]propane-2-sulfinamide
CID 90205741
(NE,S)-N-[(2S)-4-chloro-2-[(4-methoxyphenyl)methoxy]butylidene]-2-methylpropane-2-sulfinamide
CID 46845709
(R)-2-methyl-N-[(2S,3S)-2-phenylmethoxypentan-3-yl]propane-2-sulfinamide
CID 11231808
(R)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348533
(S)-2-methyl-N-[(1S,2S)-1-phenyl-2-phenylmethoxypropyl]propane-2-sulfinamide
CID 11348534
[(2S)-3,3-dimethylbutan-2-yl]oxymethylbenzene;ethane
CID 143788890
(NE,R)-N-[(2R)-2-[(1S,2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]propylidene]-2-methylpropane-2-sulfinamide
CID 71763875

Frequently Asked Questions

What is the IUPAC name of (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide?
The IUPAC name of (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide (CID 129053216) is (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide.
What is the SMILES notation for (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide?
The canonical SMILES for (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide is CC(/C=N/S(=O)C(C)(C)C)OCc1ccccc1.
What is the InChIKey of (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide?
The InChIKey is UWNYVRBSNSNKIH-XNTDXEJSSA-N. The full InChI is InChI=1S/C14H21NO2S/c1-12(10-15-18(16)14(2,3)4)17-11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3/b15-10+.
What are the key properties of (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide?
(NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide has a molecular weight of 267.39 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-2-methyl-N-(2-phenylmethoxypropylidene)propane-2-sulfinamide is sourced from PubChem (CID 129053216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).